1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one

C16H23NO2 — CID 3031627

IUPAC1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NO2/c18-14-2-1-3-17(14)15(19)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,1-10H2
InChIKeyUQASLYOGYJUSRX-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.74
Rot. Bonds2

About 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one

1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one (PubChem CID 3031627) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one
PubChem CID3031627
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NO2/c18-14-2-1-3-17(14)15(19)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,1-10H2
InChIKeyUQASLYOGYJUSRX-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one (CID 3031627) is 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one?
The InChIKey is UQASLYOGYJUSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-14-2-1-3-17(14)15(19)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,1-10H2.
What are the key properties of 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one?
1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)acetyl]pyrrolidin-2-one is sourced from PubChem (CID 3031627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).